Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 4-(dimethyl-amino)benzoate.

ABSTRACT: Mol-ecules of the title compound, C(11)H(15)NO(2), are essentially planar (r.m.s. deviation = 0.035?Å) and are linked into a chain along the a axis by weak C-H?O hydrogen bonds.

SUBMITTER: Sundar JK

PROVIDER: S-EPMC2979858 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Ethyl 4-(dimethyl-amino)benzoate.

Sundar J Kalyana JK Natarajan V V Arivanandhan M M Hayakawa Y Y Natarajan S S

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

Mol-ecules of the title compound, C(11)H(15)NO(2), are essentially planar (r.m.s. deviation = 0.035 Å) and are linked into a chain along the a axis by weak C-H⋯O hydrogen bonds. ...[more]

PMID: 21579781

Similar Datasets

Ethyl 2-[(E)-4-(dimethyl-amino)benzyl-idenehydrazino]-5-nitro-benzoate.

Project description:The title compound, C(18)H(20)N(4)O(4), exists in the E configuration with respect to the C=N bond of the methyl-idine unit. The dihedral angle between the two benzene rings is 9.01 (6)°. An intra-molecular N-H⋯O hydrogen bond involving the benzoate unit generates an S(6) ring motif. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions into infinite chains along the b axis. These chains are further connected into sheets parallel to the ab plane which are stacked approximately along the c axis. A C-H⋯π inter-action is also observed.

| S-EPMC2959927 | biostudies-literature

Ethyl 4-ethyl-amino-3-nitro-benzoate.

Project description:In the mol-ecule of the title compound, C(11)H(14)N(2)O(4), a bifurcated intra/intermolecular N-H?(O,O) hydrogen bond occurs.The intramolecular component results in a non-planar six-membered ring with a flattened-boat conformation. In the crystal structure, the inter-molecular interaction links the mol-ecules into chains parallel to the b axis.

| S-EPMC2968249 | biostudies-literature

Ethyl 3-amino-4-[(2-hy-droxy-ethyl)-amino]benzoate.

Project description:In the crystal structure of the title compound, C(11)H(16)N(2)O(3), mol-ecules are linked by one O-H?N and two N-H?O inter-molecular hydrogen bonds into a three-dimensional network, which incorporates R(2) (2)(14) and R(2) (2)(16) graph-set motifs.

| S-EPMC3007246 | biostudies-literature

Ethyl 4-amino-3-methyl-benzoate.

Project description:The asymmetric unit of the title compound, C(10)H(13)NO(2), contains two mol-ecules which are linked via an N-H⋯N hydrogen bonds to form a dimer. These dimers are further linked via N-H⋯O inter-molecular hydrogen bonds.

| S-EPMC2961301 | biostudies-literature

2-Amino-4,6-dimethyl-pyridinium benzoate.

Project description:In the title compound, C(7)H(11)N(2) (+)·C(7)H(5)O(2) (-), the 2-amino-4,6-dimethyl-pyridinium cation and the benzoate anion are linked by two N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the mol-ecules are stabilized by inter-molecular N-H⋯O hydrogen bonds. A π-π inter-action, with a centroid-centroid distance of 3.661 (2) Å, is also observed.

| S-EPMC2983164 | biostudies-literature

Ethyl 3-nitro-4-(propyl-amino)benzoate.

Project description:In the title compound, C(12)H(16)N(2)O(4), intra-molecular N-H⋯O and C-H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. The nitro group is almost coplanar with the benzene ring, forming a dihedral angle of 6.2 (2)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H⋯O and O⋯O inter-actions. Of interest are the short inter-molecular O⋯O inter-actions which cause a stacking arrangement of the mol-ecules along the a axis.

| S-EPMC2962130 | biostudies-literature

[rac-2-(1-Amino-eth-yl)phenyl-?C,N](ethyl-endiamine-?N,N')palladium(II) 3,5-dimethyl-benzoate.

Project description:In the title compound, [Pd(C(8)H(10)N)(C(2)H(8)N(2))](C(9)H(9)O(2)), the palladium ion is coordinated in a distorted square-planar fashion by the two N atoms from the chelating ethyl-enediamine group and by the N and a C atom of the deprotonated chiral amine. The resulting cationic complex and the 3,5-dimethyl-benzoate anion are inter-connected by N-H?O hydrogen bonds.

| S-EPMC3007359 | biostudies-literature

Ethyl 3-nitro-4-(n-propyl-amino)benzoate.

Project description:In the mol-ecule of the title compound, C(12)H(16)N(2)O(4), an intra-molecular N-H?O hydrogen bond results in the formation of a six-membered ring having an envelope conformation. In the crystal structure, a bifurcated intra/intermolecular N-H?(O,O) hydrogen bond generates inversion dimers.

| S-EPMC2969622 | biostudies-literature

Ethyl 4-(tert-butyl-amino)-3-nitro-benzoate.

Project description:In the title compound, C(13)H(18)N(2)O(4), intra-molecular N-H⋯O, N-H⋯N and C-H⋯O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O-N-C-C torsion angles of -0.33 (13) and 0.93 (14)° in mol-ecules A and B, respectively. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular C-H⋯O hydrogen bonds. In addition, the crystal structure is stabilized by π-π inter-actions with centroid-centroid distances ranging from 3.7853 (6) to 3.8625 (6) Å.

| S-EPMC2962174 | biostudies-literature

2-Oxochromen-4-yl 4-(dimethyl-amino)-benzoate.

Project description:In the title mol-ecule, C(18)H(15)NO(4), the benzoate ring is oriented at a dihedral angle of 43.43 (6)° with respect to the planar [maximum deviation = 0.038 (2) Å] chromene ring. The crystal structure features R(2) (2)(12) centrosymetric dimers formed via C-H⋯O inter-actions and these dimeric aggregates are connected by C-H⋯π inter-actions.

| S-EPMC3200765 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data